methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate

C24H27N3O5 — CID 17153521

IUPACmethyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2)CC1=O
InChIInChI=1S/C24H27N3O5/c1-3-4-13-27-15-18(14-21(27)28)23(30)26-19-9-5-16(6-10-19)22(29)25-20-11-7-17(8-12-20)24(31)32-2/h5-12,18H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyGGKVECZLEWZYFG-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.31
Rot. Bonds8

About methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate

methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate (PubChem CID 17153521) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
PubChem CID17153521
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namemethyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2)CC1=O
InChIInChI=1S/C24H27N3O5/c1-3-4-13-27-15-18(14-21(27)28)23(30)26-19-9-5-16(6-10-19)22(29)25-20-11-7-17(8-12-20)24(31)32-2/h5-12,18H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyGGKVECZLEWZYFG-UHFFFAOYSA-N
XLogP3.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate with MolForge

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Related Compounds

(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153451
N-[4-[(3-acetamidophenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153531
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153604
1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153589
1-butyl-N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153467
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
ethyl 2-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153507
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
1-butyl-N-[4-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153630
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate (CID 17153521) is methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate is CCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)OC)cc3)cc2)CC1=O.
What is the InChIKey of methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate?
The InChIKey is GGKVECZLEWZYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-3-4-13-27-15-18(14-21(27)28)23(30)26-19-9-5-16(6-10-19)22(29)25-20-11-7-17(8-12-20)24(31)32-2/h5-12,18H,3-4,13-15H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate?
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate has a molecular weight of 437.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate is sourced from PubChem (CID 17153521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).